Common name
2-(methoxymethyl)pyridine
IUPAC name
2-(methoxymethyl)pyridine
SMILES
n1c(cccc1)COC
Common name
2-(methoxymethyl)pyridine
IUPAC name
2-(methoxymethyl)pyridine
SMILES
n1c(cccc1)COC
INCHI
InChI=1S/C7H9NO/c1-9-6-7-4-2-3-5-8-7/h2-5H,6H2,1H3
FORMULA
C7H9NO
Common name
2-(methoxymethyl)pyridine
IUPAC name
2-(methoxymethyl)pyridine
Molecular weight
123.152
clogP
1.668
clogS
-1.906
Frequency
0.0007
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
22.12
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00612 | Carbinoxamine |
|
Histamine H1 Antagonists; Histamine Antagonists; Respiratory System; Aminoalkyl Ethers; Antihistamines for Systemic Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For symptomatic relief of seasonal and perennial allergic rhinitis and vasomotor rhinitis, as well as allergic conjunctivitis caused by foods and inhaled allergens. Also for the relief of allergic reactions to blood or plasma, and the symptomatic management of mild, uncomplicated allergic skin manifestations of urticaria and angioedema. |
| FDBD02849 | bicyclopyrone |
|
Herbicide | Herbicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1q6t_ligand_2_82.mol2 | 1q6t | 0.862745 | -6.04 | C(c1ccc2ccccc2n1)OC | 13 |
| 4hgs_ligand_2_4.mol2 | 4hgs | 0.840909 | -6.30 | OCc1ccccn1 | 8 |
| 4kbc_ligand_1_1.mol2 | 4kbc | 0.840909 | -6.26 | C(O)c1ncccc1 | 8 |
| 4hgt_ligand_2_4.mol2 | 4hgt | 0.840909 | -6.19 | OCc1ccccn1 | 8 |
| 2ohu_ligand_2_20.mol2 | 2ohu | 0.840909 | -5.93 | OCc1ccccn1 | 8 |
100 ,
11
